ethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate

C16H23NO3 — CID 104524486

IUPACethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate
SMILESCCCNC1(C(=O)OCC)c2ccccc2OCC1C
InChIInChI=1S/C16H23NO3/c1-4-10-17-16(15(18)19-5-2)12(3)11-20-14-9-7-6-8-13(14)16/h6-9,12,17H,4-5,10-11H2,1-3H3
InChIKeyMDULZGOTSMTTPC-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.47
Rot. Bonds5

About ethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate

ethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate (PubChem CID 104524486) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate
PubChem CID104524486
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate
SMILESCCCNC1(C(=O)OCC)c2ccccc2OCC1C
InChIInChI=1S/C16H23NO3/c1-4-10-17-16(15(18)19-5-2)12(3)11-20-14-9-7-6-8-13(14)16/h6-9,12,17H,4-5,10-11H2,1-3H3
InChIKeyMDULZGOTSMTTPC-UHFFFAOYSA-N
XLogP2.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-methyl-4-(2-methylpropylamino)-2,3-dihydrochromene-4-carboxylate
CID 104524499
methyl 3-methyl-4-(2-methylpropylamino)-2,3-dihydrochromene-4-carboxylate
CID 104524498
2-[3-methyl-4-(propylamino)-2,3-dihydrochromen-4-yl]acetic acid
CID 104524864
ethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate
CID 54918588
ethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate
CID 104524790
methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate
CID 113422738
ethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate
CID 65235737
ethyl 4-amino-2,3-dihydrochromene-4-carboxylate
CID 3944354
ethyl 4-(cyclopropylmethylamino)-2,3-dihydrochromene-4-carboxylate
CID 61001856
2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol
CID 113422733
ethyl 4-(cyclopentylamino)-2,3-dihydrochromene-4-carboxylate
CID 60997341
4-[acetyl(propyl)amino]-3-methyl-2,3-dihydrochromene-4-carboxylic acid
CID 104524518

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate?
The IUPAC name of ethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate (CID 104524486) is ethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate is CCCNC1(C(=O)OCC)c2ccccc2OCC1C.
What is the InChIKey of ethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate?
The InChIKey is MDULZGOTSMTTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-10-17-16(15(18)19-5-2)12(3)11-20-14-9-7-6-8-13(14)16/h6-9,12,17H,4-5,10-11H2,1-3H3.
What are the key properties of ethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate?
ethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate is sourced from PubChem (CID 104524486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).